General Information of the Compound
| Compound ID |
CP0488043
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| Compound Name |
tert-butyl N-[4-[(1S)-1-[(4,4-difluorocyclohexanecarbonyl)amino]-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]propyl]phenyl]carbamate
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| Structure |
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| Formula |
C34H50F2N6O3
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| Molecular Weight |
628.809
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| Canonical SMILES |
CC(C)c1nnc(C)n1C1CC2CCC(C1)N2CC[C@H](NC(=O)C1CCC(F)(F)CC1)c1ccc(NC(=O)OC(C)(C)C)cc1
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| InChI |
InChI=1S/C34H50F2N6O3/c1-21(2)30-40-39-22(3)42(30)28-19-26-11-12-27(20-28)41(26)18-15-29(38-31(43)24-13-16-34(35,36)17-14-24)23-7-9-25(10-8-23)37-32(44)45-33(4,5)6/h7-10,21,24,26-29H,11-20H2,1-6H3,(H,37,44)(H,38,43)/t26?,27?,28?,29-/m0/s1
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| InChIKey |
VTLGZAPEXMQVJB-VMYWCARFSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound